10967/196 - QDB Compounds

QsarDB Repository

Gharagheizi, F. A QSPR model for estimation of lower flammability limit temperature of pure compounds based on molecular structure. J. Hazard. Mater. 2009, 169, 217–220.

Compound

ID:538
Name:Benzene, 1-ethyl-3-methyl-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
311

experimental value

327.03

Eq.1: Model for diverse and pure compounds (Training set)

Links to External Resources